Oxpheneridine

Base Information

• Chemical Name: Oxpheneridine
• CAS No.: 546-32-7
• Molecular Formula: C22H27 N O3
• Molecular Weight: 353.45
• Hs Code.: 2933399090
• UNII: 5OO7RKH9WL
• DSSTox Substance ID: DTXSID80862163
• Wikipedia: Oxpheneridine
• Wikidata: Q7115762
• NCI Thesaurus Code: C76844
• ChEMBL ID: CHEMBL2106540
• Mol file: 546-32-7.mol

Synonyms:Oxpheneridine;546-32-7;Oxpheneridina;Oxpheneridinum;UNII-5OO7RKH9WL;5OO7RKH9WL;Oxpheneridine [INN:DCF];ethyl 1-(2-hydroxy-2-phenylethyl)-4-phenylpiperidine-4-carboxylate;Ethyl 1-(beta-hydroxyphenethyl)-4-phenyl-4-piperidyl-carboxylat;1-(beta-Hydroxyphenethyl)-4-phenylpiperidine-4-carboxylic acid ethyl ester;OXPHENERIDINE [INN];SCHEMBL2110574;CHEMBL2106540;DTXSID80862163;Q7115762;Isonipecotic acid, 1-(.beta.-hydroxyphenethyl)-4-phenyl-, ethyl ester;1-(.BETA.-HYDROXYPHENETHYL)-4-PHENYLPIPERIDINE-4-CARBOXYLIC ACID ETHYL ESTER;4-Piperidinecarboxylic acid, 1-(2-hydroxy-2-phenylethyl)-4-phenyl-, ethyl ester

Chemical Property of Oxpheneridine

Chemical Property:

• Vapor Pressure: 2.06E-10mmHg at 25°C
• Melting Point: 128.5 °C(Solv: ethanol (64-17-5))
• Boiling Point: 489.9°Cat760mmHg
• PKA: 14.19±0.20(Predicted)
• Flash Point: 250.1°C
• PSA: 49.77000
• Density: 1.137g/cm³
• LogP: 3.25480
• XLogP3: 3.3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 7
• Exact Mass: 353.19909372
• Heavy Atom Count: 26
• Complexity: 433

Purity/Quality:

OXPHENERIDINE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCOC(=O)C1(CCN(CC1)CC(C2=CC=CC=C2)O)C3=CC=CC=C3

Technology Process of Oxpheneridine

There total 3 articles about Oxpheneridine which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield:

1-benzyl-4-phenyl-piperidine-4-carboxylic acid ethyl ester (59084-08-1) → 4-Phenyl-1-(2-hydroxy-2-phenyl-ethyl)-4-ethoxycarbonyl-piperidin (546-32-7)

Guidance literature:

Multi-step reaction with 2 steps

1: palladium/charcoal; ethanol / Hydrogenation

With palladium on activated charcoal; ethanol;

DOI:10.1021/jo01107a028

Reference yield:

styrene oxide (96-09-3) + Normeperidine (77-17-8) → 4-Phenyl-1-(2-hydroxy-2-phenyl-ethyl)-4-ethoxycarbonyl-piperidin (546-32-7)

Guidance literature:

DOI:10.1021/jo01107a028

Reference yield:

→ 4-Phenyl-1-(2-hydroxy-2-phenyl-ethyl)-4-ethoxycarbonyl-piperidin (546-32-7)

Guidance literature:

Piperidin I, H2 (Pd/C), PdCl2;

upstream raw materials:

styrene oxide

Normeperidine

1-benzyl-4-phenyl-piperidine-4-carboxylic acid ethyl ester